1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(4-fluorobenzyl)urea Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C21H24FN3O3/c1-4-25-17-11-16(9-10-18(17)28-13-21(2,3)19(25)26)24-20(27)23-12-14-5-7-15(22)8-6-14/h5-11H,4,12-13H2,1-3H3,(H2,23,24,27)